SCHEMBL980246

SCHEMBL980246

O=C1CCC(CC(=O)N2CCC(c3cc(F)ccc3F)=N2)=NN1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.34
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CASP3 P42574 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HK1 P19367 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12922918 0.80 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMAPTTDP1
SCHEMBL28661764 0.74 KIF11 (0.46) KIF11CASP3KCNH2
SCHEMBL981952 0.72 PARP1 (0.34) KIF11
SCHEMBL17004383 0.71 MET (0.49) KIF11ALDH1A1RAB9A
SCHEMBL981914 0.69 POLB (0.42) ALDH1A1CASP3LMNAMAPTSMN1; SMN2
SCHEMBL18334724 0.68 MAOB (0.38) KIF11CASP3KCNH2
SCHEMBL5046577 0.68 KIF11 (0.40) KIF11CASP3KCNH2
SCHEMBL5046800 0.66 MET (0.49) KIF11ALDH1A1
SCHEMBL17004395 0.66 ORAI1 (0.47) KIF11ALDH1A1
SCHEMBL981265 0.65 KIF11 (0.45) KIF11ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 KIF11 3068/4885ALDH1A1 399/4885GFER 3115/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.